1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol

C19H19NOS — CID 52945768

IUPAC1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1cc(C)c2c(c1)C(O)(c1nc3ccccc3s1)CCC2
InChIInChI=1S/C19H19NOS/c1-12-10-13(2)14-6-5-9-19(21,15(14)11-12)18-20-16-7-3-4-8-17(16)22-18/h3-4,7-8,10-11,21H,5-6,9H2,1-2H3
InChIKeyVIQVONFMEPKNOB-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.49
Rot. Bonds1

About 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol

1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 52945768) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID52945768
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1cc(C)c2c(c1)C(O)(c1nc3ccccc3s1)CCC2
InChIInChI=1S/C19H19NOS/c1-12-10-13(2)14-6-5-9-19(21,15(14)11-12)18-20-16-7-3-4-8-17(16)22-18/h3-4,7-8,10-11,21H,5-6,9H2,1-2H3
InChIKeyVIQVONFMEPKNOB-UHFFFAOYSA-N
XLogP4.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol (CID 52945768) is 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol is Cc1cc(C)c2c(c1)C(O)(c1nc3ccccc3s1)CCC2.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is VIQVONFMEPKNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-12-10-13(2)14-6-5-9-19(21,15(14)11-12)18-20-16-7-3-4-8-17(16)22-18/h3-4,7-8,10-11,21H,5-6,9H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol?
1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 309.43 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 52945768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).